==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 02-JUN-06 2H7G . COMPND 2 MOLECULE: 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.PERRY,Y.HWANG,F.D.BUSHMAN,G.D.VAN DUYNE . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 4 1 0 0 0 0 0 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 X M 0 0 99 0, 0.0 2,-0.4 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 70.1 6.7 3.8 3.1 2 2 X R - 0 0 182 45,-0.5 45,-3.4 43,-0.0 2,-0.6 -0.860 360.0-123.5 -92.7 137.9 10.3 4.7 3.9 3 3 X A E -A 46 0A 32 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.740 27.7-162.8 -81.6 118.0 11.7 3.2 7.1 4 4 X L E -A 45 0A 7 41,-2.7 41,-3.1 -2,-0.6 2,-0.4 -0.758 19.1-118.1 -99.2 150.8 13.0 5.9 9.4 5 5 X F E -AB 44 12A 57 7,-3.1 7,-1.9 -2,-0.3 2,-0.4 -0.780 24.0-145.3 -98.6 132.4 15.4 5.1 12.2 6 6 X Y E + B 0 11A 63 37,-2.1 37,-0.4 -2,-0.4 2,-0.3 -0.794 23.7 164.9-105.8 134.3 14.3 5.8 15.8 7 7 X K E > S- B 0 10A 87 3,-2.3 3,-1.7 -2,-0.4 -2,-0.0 -0.901 73.3 -27.3-151.3 111.8 16.6 7.0 18.6 8 8 X D T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.795 125.6 -44.1 51.0 41.3 15.2 8.4 21.9 9 9 X G T 3 S+ 0 0 28 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.398 118.4 105.4 94.4 -4.2 12.0 9.8 20.4 10 10 X K E < -B 7 0A 94 -3,-1.7 -3,-2.3 10,-0.0 2,-0.3 -0.794 59.8-135.8-113.9 155.0 13.6 11.3 17.3 11 11 X L E +B 6 0A 1 -2,-0.3 10,-2.0 -5,-0.2 2,-0.3 -0.861 18.9 178.8-117.3 142.1 13.7 10.1 13.7 12 12 X F E -BC 5 20A 23 -7,-1.9 -7,-3.1 -2,-0.3 6,-0.0 -0.946 33.1-132.6-137.9 152.2 16.6 9.9 11.2 13 13 X T S S+ 0 0 71 6,-2.5 2,-0.3 -2,-0.3 -10,-0.1 0.696 90.5 54.8 -81.1 -14.8 16.7 8.8 7.6 14 14 X D S > S- 0 0 30 5,-0.3 3,-1.6 -9,-0.1 5,-0.2 -0.858 83.1-121.4-124.4 152.5 19.9 6.6 8.3 15 15 X N T 3 S+ 0 0 103 -2,-0.3 27,-0.1 1,-0.3 -1,-0.0 0.610 111.3 56.0 -67.7 -14.2 20.8 3.8 10.8 16 16 X N T 3 S- 0 0 113 -11,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.340 107.9-123.0-100.3 3.3 23.7 5.9 12.2 17 17 X F S < S+ 0 0 67 -3,-1.6 -2,-0.1 2,-0.1 -10,-0.0 0.752 73.5 126.9 64.6 31.0 21.5 8.8 13.1 18 18 X L + 0 0 130 1,-0.2 -1,-0.1 2,-0.0 -3,-0.1 0.658 64.6 55.6 -85.9 -20.4 23.5 11.3 11.0 19 19 X N S S- 0 0 89 -5,-0.2 -6,-2.5 0, 0.0 -5,-0.3 -0.780 74.5-164.0-118.3 83.8 20.6 12.6 9.0 20 20 X P B -C 12 0A 95 0, 0.0 -8,-0.3 0, 0.0 2,-0.1 -0.406 15.4-131.2 -70.2 143.6 17.8 14.0 11.3 21 21 X V - 0 0 19 -10,-2.0 -10,-0.1 1,-0.1 2,-0.1 -0.428 37.4 -81.4 -79.1 165.0 14.3 14.5 9.7 22 22 X S > - 0 0 71 1,-0.1 3,-2.2 -2,-0.1 -1,-0.1 -0.371 32.0-122.3 -60.8 143.4 12.4 17.7 10.1 23 23 X D T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.700 116.3 60.6 -58.2 -16.8 10.4 18.1 13.4 24 24 X N T 3 S+ 0 0 146 4,-0.1 -1,-0.3 3,-0.0 5,-0.1 0.350 73.2 135.0 -92.3 0.6 7.5 18.5 10.9 25 25 X N X - 0 0 41 -3,-2.2 3,-2.4 1,-0.1 4,-0.4 -0.328 65.1-125.3 -52.5 127.7 8.0 15.0 9.4 26 26 X P T >> S+ 0 0 72 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.777 105.2 71.3 -46.6 -31.6 4.5 13.3 9.1 27 27 X A H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.718 80.9 71.2 -63.2 -23.9 5.9 10.3 11.1 28 28 X Y H <> S+ 0 0 33 -3,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.845 91.3 60.0 -60.3 -28.9 6.0 12.4 14.3 29 29 X E H X> S+ 0 0 86 -3,-1.6 3,-1.1 -4,-0.4 4,-0.6 0.922 101.2 54.0 -62.7 -40.3 2.2 12.2 14.3 30 30 X V H >X S+ 0 0 0 -4,-0.6 3,-1.6 18,-0.4 4,-1.2 0.914 103.4 55.9 -58.5 -43.2 2.5 8.4 14.4 31 31 X L H 3< S+ 0 0 30 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.649 99.9 60.8 -67.8 -14.8 4.7 8.7 17.5 32 32 X Q H << S+ 0 0 155 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.707 112.5 37.2 -77.0 -24.9 1.9 10.7 19.2 33 33 X H H << S+ 0 0 104 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.517 112.6 57.3-110.5 -12.1 -0.4 7.7 18.9 34 34 X V < - 0 0 29 -4,-1.2 2,-0.5 24,-0.0 -1,-0.0 -0.902 64.1-142.7-120.2 153.2 1.8 4.7 19.5 35 35 X K - 0 0 165 -2,-0.3 -3,-0.1 -3,-0.0 -4,-0.0 -0.966 19.0-138.5-106.7 126.5 4.1 3.6 22.4 36 36 X I - 0 0 21 -2,-0.5 2,-0.0 -5,-0.1 7,-0.0 -0.788 27.2-119.6 -82.0 119.5 7.3 1.9 21.3 37 37 X P > - 0 0 32 0, 0.0 3,-1.2 0, 0.0 -1,-0.0 -0.372 17.0-135.5 -59.9 136.5 7.9 -1.0 23.7 38 38 X T T 3 S+ 0 0 132 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.595 95.4 70.8 -81.2 -9.9 11.2 -0.5 25.5 39 39 X H T 3 S+ 0 0 111 2,-0.0 -1,-0.3 22,-0.0 2,-0.2 0.652 83.0 92.6 -75.1 -14.1 12.4 -4.0 25.1 40 40 X L < - 0 0 14 -3,-1.2 2,-0.2 23,-0.1 23,-0.2 -0.552 56.2-169.3 -84.0 144.6 13.0 -3.5 21.4 41 41 X T E + D 0 62A 80 21,-1.7 21,-2.5 -2,-0.2 -2,-0.0 -0.684 65.0 30.7-114.8 177.3 16.3 -2.3 19.9 42 42 X D E S- 0 0 124 -2,-0.2 2,-0.2 19,-0.2 -1,-0.2 0.851 83.8-170.3 44.1 48.3 17.2 -1.1 16.4 43 43 X V E - 0 0 10 -37,-0.4 -37,-2.1 -3,-0.2 2,-0.4 -0.462 13.9-166.8 -76.6 138.0 13.7 0.3 16.0 44 44 X V E -AD 5 60A 12 16,-3.1 16,-2.6 -39,-0.2 2,-0.4 -0.962 2.8-162.8-119.1 147.7 12.4 1.6 12.6 45 45 X V E -AD 4 59A 1 -41,-3.1 -41,-2.7 -2,-0.4 14,-0.2 -0.998 24.2-119.9-129.4 126.3 9.3 3.7 12.2 46 46 X Y E -A 3 0A 49 12,-2.2 2,-1.1 -2,-0.4 -43,-0.2 -0.417 25.6-116.5 -70.8 138.8 7.7 4.0 8.7 47 47 X G S S+ 0 0 25 -45,-3.4 -45,-0.5 -2,-0.1 2,-0.3 -0.654 71.5 102.6 -80.0 101.4 7.4 7.5 7.3 48 48 X Q S S- 0 0 5 -2,-1.1 -18,-0.4 -47,-0.1 -19,-0.1 -0.949 70.8 -84.2-166.0 171.1 3.7 8.1 7.0 49 49 X T > - 0 0 47 -2,-0.3 4,-2.7 -20,-0.1 5,-0.2 -0.360 40.9-109.4 -81.5 163.7 0.7 9.8 8.6 50 50 X W H > S+ 0 0 45 -24,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.921 119.2 55.8 -59.3 -43.8 -1.3 8.3 11.5 51 51 X E H 4 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.861 112.2 43.5 -58.6 -38.1 -4.3 7.7 9.3 52 52 X E H >4 S+ 0 0 89 2,-0.2 3,-1.4 1,-0.2 4,-0.3 0.909 110.0 55.5 -69.1 -46.2 -2.1 5.7 7.0 53 53 X A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 20,-0.6 0.870 96.3 66.9 -54.9 -37.3 -0.3 3.8 9.9 54 54 X L T 3< S+ 0 0 37 -4,-2.3 22,-1.7 1,-0.3 21,-1.5 0.812 102.0 47.8 -54.0 -33.1 -3.7 2.7 11.2 55 55 X T T < S- 0 0 71 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.2 0.377 122.0 -5.6 -93.7 0.9 -4.1 0.5 8.1 56 56 X R S < S- 0 0 83 -3,-1.9 17,-2.7 -4,-0.3 20,-0.2 -0.754 102.8 -8.8-164.9-156.0 -0.7 -1.3 7.9 57 57 X L E + E 0 72A 22 15,-0.2 15,-0.2 -2,-0.2 3,-0.1 -0.424 47.8 173.2 -66.2 131.7 2.8 -1.7 9.3 58 58 X I E - 0 0 7 13,-3.0 -12,-2.2 1,-0.4 2,-0.3 0.832 55.8 -14.1-107.0 -57.3 3.8 1.0 11.8 59 59 X F E -DE 45 71A 12 12,-1.4 12,-2.4 -14,-0.2 -1,-0.4 -0.964 51.2-154.8-147.5 162.8 7.1 0.1 13.4 60 60 X V E +DE 44 70A 3 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.3 -0.996 17.3 160.1-142.3 148.1 9.6 -2.7 13.8 61 61 X G E - E 0 69A 0 8,-2.0 8,-3.0 -2,-0.3 2,-0.5 -0.937 36.9 -94.9-152.8 175.1 12.3 -3.6 16.3 62 62 X S E -DE 41 68A 11 -21,-2.5 -21,-1.7 -2,-0.3 6,-0.2 -0.863 29.5-150.1-103.4 132.2 14.5 -6.4 17.6 63 63 X D > - 0 0 19 4,-2.2 3,-1.8 -2,-0.5 -23,-0.1 -0.174 44.6 -82.0 -83.2-175.2 13.6 -8.4 20.7 64 64 X S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 2,-0.1 -24,-0.0 0.730 131.3 53.1 -63.7 -20.9 16.2 -10.0 23.1 65 65 X K T 3 S- 0 0 106 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.542 118.9-109.6 -92.0 -7.0 16.7 -12.9 20.8 66 66 X G < + 0 0 50 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.532 68.5 146.3 92.6 7.8 17.4 -10.7 17.8 67 67 X R - 0 0 107 1,-0.1 -4,-2.2 -5,-0.0 2,-0.5 -0.635 53.5-121.3 -81.8 134.3 14.1 -11.4 16.0 68 68 X R E -E 62 0A 94 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.667 30.5-159.5 -72.7 118.9 12.6 -8.6 14.0 69 69 X Q E -E 61 0A 76 -8,-3.0 -8,-2.0 -2,-0.5 2,-0.4 -0.911 3.3-148.6-110.0 131.7 9.1 -8.0 15.5 70 70 X Y E -E 60 0A 118 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.859 5.2-157.9-115.8 129.2 6.5 -6.2 13.4 71 71 X F E -E 59 0A 64 -12,-2.4 -13,-3.0 -2,-0.4 -12,-1.4 -0.935 11.2-162.4-120.3 121.0 3.8 -4.0 14.8 72 72 X Y E -E 57 0A 88 -2,-0.5 -15,-0.2 -15,-0.2 -18,-0.1 -0.615 22.6-101.5-105.7 154.1 0.6 -3.2 12.8 73 73 X G > - 0 0 1 -17,-2.7 4,-2.2 -20,-0.6 3,-0.3 -0.282 35.9-111.9 -68.7 153.1 -2.2 -0.6 13.0 74 74 X K H > S+ 0 0 174 1,-0.2 4,-2.6 2,-0.2 -19,-0.1 0.786 118.5 53.4 -61.1 -31.8 -5.6 -1.4 14.5 75 75 X M H > S+ 0 0 95 -21,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.856 107.8 51.7 -70.9 -35.7 -7.3 -1.3 11.2 76 76 X H H > S+ 0 0 50 -22,-1.7 4,-2.9 -3,-0.3 -2,-0.2 0.928 112.0 46.4 -58.8 -46.3 -4.8 -3.7 9.7 77 77 X V H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 112.7 49.9 -64.3 -45.5 -5.5 -6.0 12.7 78 78 X Q H X S+ 0 0 130 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 112.0 48.0 -53.8 -52.5 -9.2 -5.6 12.2 79 79 X N H X S+ 0 0 71 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.912 108.8 54.4 -52.6 -49.4 -8.9 -6.4 8.5 80 80 X R H X S+ 0 0 107 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.884 108.6 48.9 -54.9 -42.7 -6.7 -9.5 9.3 81 81 X N H X S+ 0 0 69 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.855 109.0 52.6 -69.4 -35.2 -9.5 -10.8 11.6 82 82 X A H X S+ 0 0 30 -4,-2.0 4,-1.6 1,-0.2 3,-0.4 0.942 106.5 53.3 -60.4 -49.2 -12.1 -10.2 8.9 83 83 X K H X S+ 0 0 111 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.799 102.5 60.0 -54.4 -33.6 -10.0 -12.2 6.3 84 84 X R H X S+ 0 0 35 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.919 104.0 48.6 -62.7 -44.6 -9.9 -15.1 8.9 85 85 X D H X S+ 0 0 23 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.874 113.0 48.1 -61.9 -38.3 -13.7 -15.3 8.8 86 86 X R H X S+ 0 0 101 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.878 107.2 55.1 -70.3 -38.8 -13.6 -15.3 5.0 87 87 X I H X S+ 0 0 16 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.883 103.4 57.9 -58.2 -39.8 -10.9 -18.0 5.0 88 88 X F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.932 109.2 43.4 -55.5 -47.3 -13.3 -20.1 7.1 89 89 X V H X S+ 0 0 13 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.902 111.5 54.9 -66.5 -40.7 -15.9 -19.8 4.3 90 90 X R H X S+ 0 0 120 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.913 112.3 42.0 -60.2 -45.7 -13.2 -20.5 1.6 91 91 X V H >X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 3,-0.9 0.913 112.0 55.9 -68.6 -43.1 -12.1 -23.8 3.3 92 92 X Y H >< S+ 0 0 63 -4,-2.3 3,-0.5 -5,-0.3 4,-0.3 0.910 108.9 48.1 -50.5 -48.2 -15.7 -24.7 4.0 93 93 X N H 3< S+ 0 0 97 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.633 116.5 41.8 -68.1 -22.3 -16.4 -24.4 0.3 94 94 X V H S+ 0 0 188 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.938 107.5 47.0 -57.5 -47.2 -15.4 -31.7 -0.6 97 97 X R H > S+ 0 0 127 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.822 112.3 50.5 -63.6 -34.6 -12.6 -31.4 -3.1 98 98 X I H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.945 110.4 48.4 -69.4 -47.2 -10.0 -32.1 -0.4 99 99 X N H X S+ 0 0 40 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.830 108.9 54.5 -62.1 -31.5 -11.8 -35.2 0.9 100 100 X S H X S+ 0 0 60 -4,-2.0 4,-1.9 -5,-0.2 5,-0.2 0.937 110.8 45.9 -65.3 -42.6 -12.1 -36.4 -2.7 101 101 X F H X S+ 0 0 24 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.899 116.7 44.9 -64.9 -44.5 -8.3 -36.0 -3.0 102 102 X I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.954 112.8 48.9 -60.8 -53.9 -7.8 -37.8 0.4 103 103 X N H < S+ 0 0 70 -4,-3.0 -2,-0.2 1,-0.2 4,-0.2 0.815 114.5 45.6 -67.3 -31.2 -10.2 -40.6 -0.2 104 104 X K H >< S+ 0 0 143 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.917 116.8 44.6 -66.0 -48.5 -8.8 -41.4 -3.6 105 105 X N H >< S+ 0 0 25 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.706 93.4 72.9 -81.1 -23.1 -5.2 -41.3 -2.5 106 106 X I T 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.594 88.7 66.3 -73.2 -6.0 -5.2 -43.2 0.8 107 107 X K T < S+ 0 0 185 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.435 92.1 96.8 -80.7 -0.9 -5.6 -46.4 -1.2 108 108 X K S < S- 0 0 89 -3,-2.0 2,-0.1 1,-0.2 -3,-0.0 -0.064 86.2 -63.9 -91.4-178.2 -2.1 -45.8 -2.6 109 109 X S > - 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0 0 44 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.935 46.8-102.0-165.6 155.2 9.2 -31.3 1.9 205 205 X E H > S+ 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.929 124.2 53.3 -54.9 -43.9 7.9 -27.8 2.4 206 206 X R H > S+ 0 0 198 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 108.2 48.6 -56.1 -50.9 8.0 -27.4 -1.4 207 207 X K H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 112.4 48.0 -58.6 -41.8 5.9 -30.5 -2.0 208 208 X V H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.945 112.9 47.9 -66.9 -46.8 3.2 -29.5 0.6 209 209 X Y H X S+ 0 0 114 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.926 112.6 48.4 -61.0 -45.7 3.0 -25.9 -0.8 210 210 X E H < S+ 0 0 134 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.894 115.2 46.4 -62.9 -35.2 2.7 -27.2 -4.4 211 211 X S H >< S+ 0 0 12 -4,-2.2 3,-1.3 -5,-0.2 4,-0.3 0.939 110.7 48.6 -73.4 -45.5 -0.0 -29.7 -3.3 212 212 X I H ><>S+ 0 0 6 -4,-2.9 3,-2.3 1,-0.3 5,-0.9 0.831 97.5 74.1 -64.6 -29.6 -2.2 -27.4 -1.2 213 213 X K G ><5S+ 0 0 159 -4,-1.7 3,-1.8 -5,-0.3 -1,-0.3 0.804 81.8 68.5 -53.4 -31.7 -2.1 -24.8 -4.0 214 214 X Q G < 5S+ 0 0 89 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.764 100.5 49.6 -63.2 -20.7 -4.6 -27.0 -6.0 215 215 X F G < 5S- 0 0 9 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.345 111.3-120.5 -99.0 3.9 -7.2 -26.1 -3.4 216 216 X G T < 5S+ 0 0 57 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.2 0.733 80.3 90.1 69.2 23.5 -6.6 -22.4 -3.5 217 217 X I S > - 0 0 125 -2,-0.3 3,-1.3 -3,-0.1 4,-0.8 -0.787 31.6-112.8-102.4 159.9 -2.8 -22.5 2.6 219 219 X I H >> S+ 0 0 5 -2,-0.3 3,-1.3 1,-0.3 4,-1.1 0.907 118.2 59.4 -53.5 -45.4 -2.2 -25.2 5.1 220 220 X K H 3> S+ 0 0 122 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.784 95.7 64.3 -57.9 -24.1 -2.7 -22.7 8.0 221 221 X D H <> S+ 0 0 1 -3,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.822 95.9 57.1 -69.2 -31.5 -6.2 -22.2 6.5 222 222 X L H - 0 0 61 1,-0.1 4,-2.2 4,-0.1 5,-0.2 -0.140 52.4 -98.3 -56.5 158.9 -26.4 -15.6 29.6 248 248 X P H > S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.892 121.4 35.7 -49.0 -52.5 -25.0 -14.5 26.2 249 249 X K H > S+ 0 0 130 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.841 113.5 56.0 -82.2 -29.8 -21.4 -13.9 27.3 250 250 X K H > S+ 0 0 153 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.838 109.6 51.3 -59.1 -34.7 -21.3 -16.6 29.9 251 251 X L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.912 113.6 41.4 -69.1 -46.2 -22.2 -18.9 27.0 252 252 X I H X S+ 0 0 11 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.930 114.3 52.3 -66.5 -45.9 -19.4 -17.5 24.8 253 253 X A H X S+ 0 0 52 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.938 111.4 47.1 -57.5 -48.6 -16.9 -17.5 27.6 254 254 X L H X S+ 0 0 55 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.896 113.2 49.3 -54.6 -44.0 -17.7 -21.2 28.4 255 255 X T H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.868 110.5 49.4 -69.2 -38.2 -17.4 -22.0 24.6 256 256 X I H X S+ 0 0 17 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.933 111.5 50.7 -63.1 -44.3 -14.1 -20.2 24.3 257 257 X K H X S+ 0 0 123 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.888 109.4 48.5 -62.5 -41.6 -12.8 -22.1 27.4 258 258 X Q H X S+ 0 0 52 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.886 115.9 44.8 -66.5 -40.4 -13.9 -25.6 26.1 259 259 X T H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.944 112.2 51.1 -67.1 -51.2 -12.2 -24.9 22.7 260 260 X A H X>S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 5,-1.8 0.869 107.1 55.5 -52.9 -43.3 -9.0 -23.4 24.3 261 261 X E H <5S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.934 115.1 36.5 -58.4 -47.8 -8.7 -26.5 26.5 262 262 X V H <5S+ 0 0 92 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.840 120.4 45.3 -77.1 -35.5 -8.8 -28.9 23.6 263 263 X V H <5S- 0 0 11 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.825 112.1-117.0 -76.7 -31.3 -6.8 -26.8 21.1 264 264 X G T <5 + 0 0 21 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.784 59.4 148.6 97.6 35.4 -4.2 -25.9 23.7 265 265 X H < - 0 0 36 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.766 50.3-110.6 -95.0 145.3 -4.6 -22.1 24.0 266 266 X T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.382 31.4-109.3 -67.7 154.7 -3.9 -20.3 27.3 267 267 X P T 4 S+ 0 0 114 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.700 119.7 49.4 -61.3 -18.9 -7.0 -18.9 29.0 268 268 X S T >4 S+ 0 0 68 2,-0.1 3,-0.8 1,-0.1 4,-0.3 0.955 114.5 39.2 -81.5 -60.1 -5.7 -15.4 28.1 269 269 X I T >> S+ 0 0 72 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.747 106.7 66.7 -58.7 -29.9 -5.0 -15.9 24.4 270 270 X S H >X S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.2 4,-0.6 0.859 82.2 79.1 -66.1 -34.9 -8.1 -18.0 23.9 271 271 X K H <4 S+ 0 0 125 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.798 112.9 16.1 -35.0 -50.5 -10.3 -15.0 24.6 272 272 X R H <4 S+ 0 0 206 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.332 101.0 98.6-113.0 9.4 -9.8 -13.6 21.1 273 273 X A H << S+ 0 0 30 -3,-1.1 2,-0.2 -4,-0.6 -2,-0.1 0.732 80.7 42.7 -72.8 -24.3 -8.5 -16.7 19.3 274 274 X Y S >< S- 0 0 4 -4,-0.6 2,-2.1 -3,-0.1 3,-0.5 -0.589 100.9 -76.0-121.4 179.6 -11.8 -17.8 17.7 275 275 X M T 3> S+ 0 0 0 1,-0.2 4,-1.4 -2,-0.2 3,-0.2 -0.178 75.7 128.7 -72.7 43.9 -14.9 -16.6 15.8 276 276 X A H 3> + 0 0 12 -2,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.785 66.9 62.1 -68.5 -29.4 -16.6 -15.2 19.0 277 277 X T H <> S+ 0 0 78 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.842 101.4 52.8 -65.9 -33.8 -17.1 -11.8 17.2 278 278 X T H >> S+ 0 0 2 -3,-0.2 4,-2.0 2,-0.2 3,-0.5 0.950 106.7 50.4 -64.5 -49.1 -19.3 -13.6 14.6 279 279 X I H 3X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.836 106.4 59.6 -59.0 -30.5 -21.5 -15.2 17.4 280 280 X L H 3< S+ 0 0 61 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.868 106.0 44.3 -65.4 -42.1 -21.8 -11.6 18.8 281 281 X E H X< S+ 0 0 69 -4,-1.4 3,-0.9 -3,-0.5 -1,-0.2 0.883 114.5 51.5 -66.2 -39.2 -23.4 -10.2 15.6 282 282 X M H >< S+ 0 0 11 -4,-2.0 3,-1.1 1,-0.2 6,-0.3 0.845 102.9 54.9 -71.7 -36.7 -25.7 -13.2 15.4 283 283 X V T 3< S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.496 83.7 94.3 -73.1 -1.0 -27.1 -13.1 18.9 284 284 X K T < S+ 0 0 168 -3,-0.9 2,-0.4 -5,-0.1 -1,-0.2 0.632 80.0 58.9 -69.0 -16.5 -28.0 -9.5 18.1 285 285 X D S X S- 0 0 90 -3,-1.1 3,-1.1 -4,-0.1 4,-0.3 -0.943 85.7-128.5-116.0 146.2 -31.5 -10.7 17.1 286 286 X K T 3 S+ 0 0 171 -2,-0.4 4,-0.5 1,-0.2 3,-0.3 0.738 100.3 59.7 -64.5 -29.6 -33.9 -12.6 19.5 287 287 X N T 3> S+ 0 0 110 1,-0.2 4,-2.7 2,-0.1 3,-0.4 0.767 83.4 85.2 -72.4 -23.5 -34.7 -15.6 17.2 288 288 X F H <> S+ 0 0 15 -3,-1.1 4,-3.1 -6,-0.3 5,-0.2 0.849 89.1 43.0 -49.4 -59.6 -31.1 -16.8 16.9 289 289 X L H > S+ 0 0 37 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.3 0.822 115.2 52.3 -62.1 -34.2 -30.6 -19.0 20.0 290 290 X D H > S+ 0 0 121 -4,-0.5 4,-1.1 -3,-0.4 -1,-0.2 0.962 111.6 46.7 -60.6 -52.6 -34.1 -20.5 19.4 291 291 X V H >< S+ 0 0 66 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.925 111.5 50.8 -56.4 -50.4 -33.1 -21.3 15.8 292 292 X V H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.885 105.6 55.8 -56.7 -43.5 -29.8 -22.8 16.8 293 293 X S H 3< S+ 0 0 56 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.772 110.7 46.3 -59.7 -28.6 -31.5 -25.0 19.4 294 294 X K T << S+ 0 0 177 -4,-1.1 -1,-0.3 -3,-1.0 2,-0.3 0.297 100.4 91.4 -97.7 7.5 -33.7 -26.4 16.6 295 295 X T S < S- 0 0 4 -3,-1.7 2,-0.2 -4,-0.2 -3,-0.0 -0.680 71.8-126.3-101.2 152.6 -30.9 -27.0 14.1 296 296 X T > - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.534 40.0-107.4 -76.0 166.1 -28.6 -29.9 13.3 297 297 X F H > S+ 0 0 10 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.892 120.1 56.9 -68.2 -38.8 -24.9 -28.9 13.4 298 298 X D H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 110.4 42.9 -58.0 -43.7 -24.7 -29.0 9.6 299 299 X E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.835 113.3 52.4 -73.7 -30.4 -27.5 -26.5 9.3 300 300 X F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.961 108.8 50.7 -61.4 -52.6 -26.1 -24.4 12.1 301 301 X L H X S+ 0 0 5 -4,-3.5 4,-2.8 1,-0.2 -2,-0.2 0.884 110.3 49.5 -51.3 -44.2 -22.7 -24.4 10.2 302 302 X S H X S+ 0 0 49 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.834 109.4 51.8 -66.5 -34.5 -24.5 -23.2 7.0 303 303 X I H X S+ 0 0 60 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.935 112.1 46.0 -64.4 -46.8 -26.3 -20.4 8.9 304 304 X V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.959 113.3 49.1 -61.7 -51.5 -23.0 -19.2 10.3 305 305 X V H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.899 110.6 51.1 -51.5 -46.6 -21.3 -19.4 6.9 306 306 X D H X S+ 0 0 96 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 108.0 53.0 -60.6 -41.3 -24.2 -17.5 5.3 307 307 X H H X S+ 0 0 54 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.927 110.1 47.2 -56.9 -48.2 -23.9 -14.8 8.0 308 308 X V H X S+ 0 0 10 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.903 112.0 49.9 -62.4 -44.2 -20.1 -14.4 7.2 309 309 X K H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 118.7 38.1 -61.7 -41.4 -20.7 -14.2 3.4 310 310 X S H < S+ 0 0 107 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.511 101.2 74.1 -93.1 -7.1 -23.5 -11.6 3.8 311 311 X S H < 0 0 62 -4,-1.2 -2,-0.2 -3,-0.2 -3,-0.1 0.998 360.0 360.0 -61.2 -72.9 -21.7 -9.7 6.6 312 312 X T < 0 0 147 -4,-1.1 -3,-0.1 -230,-0.1 -4,-0.1 0.057 360.0 360.0-153.1 360.0 -19.3 -8.3 4.1